Information card for entry 4511508

Structure parameters

• Formula: C32 H64 Cd3 Cl6 N16
• Calculated formula: C32 H64 Cd3 Cl6 N16
• SMILES: c1(CCC)n(c(CCC)[n]2[n]1[Cd]1([n]3c(CCC)n(N)c([n]3[Cd]342([Cl]1)[n]1c(CCC)n(c(CCC)[n]1[Cd]([n]1c(CCC)n(N)c([n]31)CCC)(Cl)([Cl]4)Cl)N)CCC)(Cl)Cl)N
• Title of publication: Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions
• Authors of publication: Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2126
• a: 11.472 ± 0.0006 Å
• b: 15.0892 ± 0.0008 Å
• c: 14.9771 ± 0.001 Å
• α: 90°
• β: 94.601 ± 0.003°
• γ: 90°
• Cell volume: 2584.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No